CID 137245239

2-(pyrrolidin-1-yl)-6-(pyrrolidin-3-yl)pyrimidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C12H18N4O
SMILES
C1CCN(C1)C2=NC(=CC(=O)N2)C3CCNC3
InChI
InChI=1S/C12H18N4O/c17-11-7-10(9-3-4-13-8-9)14-12(15-11)16-5-1-2-6-16/h7,9,13H,1-6,8H2,(H,14,15,17)
InChIKey
BSDFSBRXNLVIOC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-4-pyrrolidin-3-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 154.7
[M+Na]+ 257.13728 160.3
[M-H]- 233.14078 156.2
[M+NH4]+ 252.18188 168.5
[M+K]+ 273.11122 155.4
[M+H-H2O]+ 217.14532 144.8
[M+HCOO]- 279.14626 169.0
[M+CH3COO]- 293.16191 164.1
[M+Na-2H]- 255.12273 153.7
[M]+ 234.14751 146.4
[M]- 234.14861 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.